CHEMBL1258707
SMILES | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O |
InChIKey | QDRWSPZEWFBUHM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 430.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |